Sugi Predict

Sugi Predict / Compounds / SCHEMBL4045828

SCHEMBL4045828

SCHEMBL4045828

C[C@@H]1[C@@H](N=C(Nc2ccc(C(=O)NCCc3ccc(Br)cc3F)cc2)N2C[C@@H](C)N[C@@H](C)C2)C[C@H]2C[C@@H]1C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 17/20 0.51
▸ MC4R P32245 6/20 0.51
▸ MC3R P41968 6/20 0.51
▸ MC1R Q01726 2/20 0.39
▸ NAMPT P43490 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4045818 1.00 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4045824 1.00 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4038136 0.93 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4038137 0.93 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4038130 0.93 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050137 0.91 MC5R (0.50) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050128 0.91 MC5R (0.50) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050134 0.91 MC5R (0.50) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4041368 0.86 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4041366 0.86 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 — — EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed